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alpha-N-Formyl-(epsilon-N-1-deoxy-1-fructosyl)-L-lysine

HCID 193597
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Basic information

CAS
23931-59-1
Standard SMILES
O=CN[C@H](CCCCNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O
InChIKey
VUDOMKMNAWXLBB-HJQYOEGKSA-N
Molecular formula
C13H24N2O8
Average molar mass
336.34 g/mol
Monoisotopic mass
336.15326573

Overview

RN given refers to (S)-isomer

Names & identifiers

Preferred name
alpha-N-Formyl-(epsilon-N-1-deoxy-1-fructosyl)-L-lysine
IUPAC
(2R)-2-formamido-6-[[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino]hexanoic acid

Names & synonyms

N-fFLN(alpha)-Formyl-N(epsilon)-fructoselysinealpha-N-Formyl-(epsilon-N-1-deoxy-1-fructosyl)-L-lysineRefChem:111349D-Fructose, 1-((5-carboxy-5-(formylamino)pentyl)amino)-1-deoxy-, (S)-(2R)-2-formamido-6-[[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino]hexanoic acidSCHEMBL30268505N(alpha)-Formyl-N(alpha)-fructoselysine

Database identifiers

CAS
23931-59-1
PubChem CID
193597

Properties

Computed structural properties

XLogP
-5.2
Topological polar surface area
176 Ų
Hydrogen bond donors
7
Hydrogen bond acceptors
9
Rotatable bonds
13
Heavy atoms
23
Formal charge
0
Complexity
379

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Compound notes

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